Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 3/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | FASN | P49327 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18924566 | 0.84 | FASN (0.42) | CNR2ARPOLBNPC1RAB9A | |
| SCHEMBL16323746 | 0.82 | FASN (0.54) | FASN | |
| SCHEMBL19391084 | 0.78 | AR (0.53) | ARFASNKDM1A | |
| SCHEMBL18924455 | 0.78 | MAPK14 (0.43) | CNR2ARMAPK14POLBNPC1 | |
| SCHEMBL18924543 | 0.78 | LRRK2 (0.43) | POLBNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL18924429 | 0.77 | MAPK14 (0.53) | CNR2MAPK14POLBNPC1RAB9A | |
| SCHEMBL18924536 | 0.77 | S1PR1 (0.43) | POLBNPC1RAB9AMCHR1ALDH1A1 | |
| SCHEMBL16323745 | 0.73 | FASN (0.37) | ARBRD4FASNKDM1A | |
| SCHEMBL16324535 | 0.72 | FASN (0.61) | FASN | |
| SCHEMBL19371755 | 0.72 | FASN (0.61) | FASN |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |